SCHEMBL24200224

SCHEMBL24200224

C=C/C(=C(/O)CC(C)Oc1ccccc1CC(=O)OCC)c1cccc(CN)c1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.35
▸ CFD P00746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MRGPRX4 Q96LA9 2/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ PKM P14618 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ DHODH Q02127 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21455708 0.79 TBXAS1 (0.41) TBXAS1L3MBTL1TSHRHPGDALDH1A1
SCHEMBL21455759 0.75 L3MBTL1 (0.40) TBXAS1CFDL3MBTL1TSHRHPGD
SCHEMBL23617310 0.75 L3MBTL1 (0.40) TBXAS1CFDL3MBTL1TSHRHPGD
SCHEMBL21455186 0.73 TBXAS1 (0.37) TBXAS1L3MBTL1TSHRHPGDALDH1A1
SCHEMBL23241478 0.71 TBXAS1 (0.47) TBXAS1L3MBTL1TSHRHPGDALDH1A1
SCHEMBL23425588 0.71 TBXAS1 (0.47) TBXAS1L3MBTL1TSHRHPGDALDH1A1
SCHEMBL24200116 0.71 KAT6A (0.33) MRGPRX4
SCHEMBL21455709 0.70 TBXAS1 (0.46) TBXAS1L3MBTL1TSHRHPGDALDH1A1
SCHEMBL24199940 0.70 L3MBTL1 (0.36) TBXAS1CFDL3MBTL1TSHRHPGD
SCHEMBL23229004 0.69 TBXAS1 (0.47) TBXAS1L3MBTL1ALDH1A1HSD17B10PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 — — EP disclosed
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